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Optimized Decomposition of Simulated Polymer Networks Into Meshes
Author(s) -
Lang Michael,
Michalke Wolfgang,
Kreitmeier Stefan
Publication year - 2001
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/1521-3919(20010301)10:3<204::aid-mats204>3.0.co;2-m
Subject(s) - polygon mesh , decomposition , computer science , process (computing) , set (abstract data type) , mathematical optimization , tree (set theory) , algorithm , theoretical computer science , mathematics , combinatorics , chemistry , computer graphics (images) , organic chemistry , programming language , operating system
An algorithm is introduced which decomposes simulated polymer networks into meshes in order to permit an analysis of the entanglements of the network. The decomposition process intends to obtain the set of meshes most active during the deformation process. Optimizing both the choice of the spanning tree of the network and the order of adding chains to the tree, a decomposition is obtained, which only contains the smallest meshes necessary. By applying it to simulated networks it is found that, especially for statistical networks, an optimization process is necessary to perform a valid entanglement analysis.